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116289-28-2 | 1,2-Propanediol, 3-[(2-methyl-4-quinolinyl)amino]-
CAS No: 116289-28-2 Catalog No: AG000C4X MDL No:
Product Description
Catalog Number:
AG000C4X
Chemical Name:
1,2-Propanediol, 3-[(2-methyl-4-quinolinyl)amino]-
CAS Number:
116289-28-2
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
3-[(2-methylquinolin-4-yl)amino]propane-1,2-diol
InChI:
InChI=1S/C13H16N2O2/c1-9-6-13(14-7-10(17)8-16)11-4-2-3-5-12(11)15-9/h2-6,10,16-17H,7-8H2,1H3,(H,14,15)
InChI Key:
MIQMDNQMCFYTRD-UHFFFAOYSA-N
SMILES:
OCC(CNc1cc(C)nc2c1cccc2)O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 4-Aminoquinolines as a novel class of NR1/2B subtype selective NMDA receptor antagonists. | Bioorganic & medicinal chemistry letters 20020916 |
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